CID 177800338

Methyl 3,6-difluoroimidazo[1,2-a]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H6F2N2O2
SMILES
COC(=O)C1=C(N2C=C(C=CC2=N1)F)F
InChI
InChI=1S/C9H6F2N2O2/c1-15-9(14)7-8(11)13-4-5(10)2-3-6(13)12-7/h2-4H,1H3
InChIKey
BASRRTNOROSWID-UHFFFAOYSA-N
Compound name
methyl 3,6-difluoroimidazo[1,2-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.047006 137.9
[M+Na]+ 235.028948 150.6
[M-H]- 211.032454 138.7
[M+NH4]+ 230.073553 157.5
[M+K]+ 251.002888 147.6
[M+H-H2O]+ 195.036990 129.6
[M+HCOO]- 257.037931 159.5
[M+CH3COO]- 271.053581 186.1
[M+Na-2H]- 233.014396 143.3
[M]+ 212.03918142 140.4
[M]- 212.04027858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.